CID 11718285

Schembl12155417

Structural Information

Molecular Formula
C24H20N2O4
SMILES
COC1=CC=C(C=C1)NC2=C(C(=O)OC3=CC=CC=C32)C=NC4=CC=C(C=C4)OC
InChI
InChI=1S/C24H20N2O4/c1-28-18-11-7-16(8-12-18)25-15-21-23(26-17-9-13-19(29-2)14-10-17)20-5-3-4-6-22(20)30-24(21)27/h3-15,26H,1-2H3
InChIKey
MQALBNPSURHWFZ-UHFFFAOYSA-N
Compound name
4-(4-methoxyanilino)-3-[(4-methoxyphenyl)iminomethyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

400.1423 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.14958 196.8
[M+Na]+ 423.13152 204.9
[M-H]- 399.13502 209.6
[M+NH4]+ 418.17612 207.0
[M+K]+ 439.10546 201.3
[M+H-H2O]+ 383.13956 185.1
[M+HCOO]- 445.14050 221.9
[M+CH3COO]- 459.15615 207.6
[M+Na-2H]- 421.11697 203.1
[M]+ 400.14175 202.1
[M]- 400.14285 202.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe